Using VASP

Moderators: Global Moderator, Moderator

New Topic

5517 topics

Page 235 of 276
- Jump to page:
Previous
1
…
233
234
235
236
237
…
276
Next

Topics

Replies

Views

Last post

problem with restart/electronic convergence

Last post by admin « Mon Sep 08, 2008 1:39 pm
Replies: 1
by Charles W. Bauschlicher » Thu Sep 04, 2008 4:43 pm

1 Replies

3015 Views

Last post by admin
Mon Sep 08, 2008 1:39 pm
Big total drift

Last post by admin « Wed Sep 03, 2008 1:37 pm
Replies: 2
by Agalya » Tue Sep 02, 2008 2:06 pm

2 Replies

4456 Views

Last post by admin
Wed Sep 03, 2008 1:37 pm
Parameters in OUTCAR different from those in INCAR

Last post by physicalattraction « Fri Aug 29, 2008 11:12 am
Replies: 2
by physicalattraction » Mon Aug 25, 2008 9:19 am

2 Replies

3985 Views

Last post by physicalattraction
Fri Aug 29, 2008 11:12 am
TEBEG & TEEND

Last post by admin « Tue Aug 26, 2008 11:03 am
Replies: 1
by TAT » Wed Aug 20, 2008 10:14 pm

1 Replies

3062 Views

Last post by admin
Tue Aug 26, 2008 11:03 am
optimization

Last post by admin « Tue Aug 26, 2008 10:43 am
Replies: 1
by linglin » Tue Aug 26, 2008 2:12 am

1 Replies

2684 Views

Last post by admin
Tue Aug 26, 2008 10:43 am
Static calculation doesn't yield a close result to the previous relaxation run.

Last post by forsdan « Fri Aug 22, 2008 5:18 am
Replies: 1
by mikehp » Thu Aug 21, 2008 9:58 pm

1 Replies

3574 Views

Last post by forsdan
Fri Aug 22, 2008 5:18 am
Relaxation at different energy cutoffs

Last post by admin « Mon Aug 18, 2008 12:41 pm
Replies: 1
by physicalattraction » Thu Aug 14, 2008 12:33 pm

1 Replies

2863 Views

Last post by admin
Mon Aug 18, 2008 12:41 pm
how to prepare a poscar file for dug molecules.

Last post by fullerene « Fri Aug 15, 2008 4:14 pm
Replies: 3
by gaurav » Fri Aug 01, 2008 1:14 pm

3 Replies

4313 Views

Last post by fullerene
Fri Aug 15, 2008 4:14 pm
Explicit k-points for older VASP version

Last post by mrm « Wed Aug 13, 2008 8:33 pm
Replies: 2
by mrm » Thu Aug 07, 2008 11:17 pm

2 Replies

3256 Views

Last post by mrm
Wed Aug 13, 2008 8:33 pm
Work function on metal oxide surface

Last post by alex « Wed Aug 13, 2008 8:12 pm
Replies: 4
by Jiaye Li » Sun Jun 15, 2008 8:28 am

4 Replies

6354 Views

Last post by alex
Wed Aug 13, 2008 8:12 pm
Form of LDA and GGA

Last post by admin « Wed Aug 13, 2008 9:08 am
Replies: 1
by jhlee » Wed Aug 13, 2008 1:21 am

1 Replies

3065 Views

Last post by admin
Wed Aug 13, 2008 9:08 am
Charge system

Last post by admin « Tue Aug 12, 2008 9:56 am
Replies: 1
by wcwang » Thu Aug 07, 2008 3:18 pm

1 Replies

2664 Views

Last post by admin
Tue Aug 12, 2008 9:56 am
A question about the US-Potential

Last post by MDrizzle « Tue Aug 12, 2008 4:11 am
Replies: 2
by MDrizzle » Sun Aug 10, 2008 10:13 am

2 Replies

3107 Views

Last post by MDrizzle
Tue Aug 12, 2008 4:11 am
Noncollinear relaxation

Last post by admin « Mon Aug 11, 2008 3:16 pm
Replies: 1
by faerie » Mon Aug 11, 2008 11:28 am

1 Replies

3228 Views

Last post by admin
Mon Aug 11, 2008 3:16 pm
Ion exchange in zeolitic systems

Last post by admin « Mon Aug 11, 2008 10:04 am
Replies: 1
by Anjaiah » Mon Aug 04, 2008 9:37 am

1 Replies

2571 Views

Last post by admin
Mon Aug 11, 2008 10:04 am
NEB calculation

Last post by forsdan « Wed Aug 06, 2008 5:50 pm
Replies: 1
by rghomari » Wed Aug 06, 2008 5:10 pm

1 Replies

2869 Views

Last post by forsdan
Wed Aug 06, 2008 5:50 pm
Spin Orbit Coupling

Last post by admin « Wed Aug 06, 2008 12:14 pm
Replies: 1
by vaspfan » Thu Jul 31, 2008 12:48 pm

1 Replies

2844 Views

Last post by admin
Wed Aug 06, 2008 12:14 pm
dos of CNT

Last post by admin « Wed Aug 06, 2008 12:11 pm
Replies: 1
by crajesh » Wed Jul 30, 2008 5:26 am

1 Replies

2723 Views

Last post by admin
Wed Aug 06, 2008 12:11 pm
no electronic convergence, even with ICHARG=12

Last post by admin « Wed Aug 06, 2008 11:56 am
Replies: 2
by rgc » Mon Jul 28, 2008 3:55 pm

2 Replies

3784 Views

Last post by admin
Wed Aug 06, 2008 11:56 am
NEB error: REAL_OPTLAY

Last post by admin « Wed Aug 06, 2008 11:50 am
Replies: 1
by lighthearted » Mon Jul 28, 2008 12:43 pm

1 Replies

4813 Views

Last post by admin
Wed Aug 06, 2008 11:50 am

New Topic

5517 topics

Page 235 of 276
- Jump to page:
Previous
1
…
233
234
235
236
237
…
276
Next

Return to Board Index

Forum permissions

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum